(2R)-2-Hydroxy-4-(methylthio)butanoic Acid Calcium Salt - CAS 71597-86-9
Catalog: |
BB056240 |
Product Name: |
(2R)-2-Hydroxy-4-(methylthio)butanoic Acid Calcium Salt |
CAS: |
71597-86-9 |
Synonyms: |
(R)-2-Hydroxy-4-(methylthio)butanoic Acid Calcium Salt; D-2-Hydroxy-4-(methylmercapto)butanoic Acid Calcium Salt; D-2-Hydroxy-4-methylmercaptobutyric Acid Calcium Salt; L-Methionine-D-hydroxy Analog Calcium Salt |
IUPAC Name: | calcium(2R)-2-hydroxy-4-methylsulfanylbutanoate |
Description: | (2R)-2-Hydroxy-4-(methylthio)butanoic Acid Calcium Salt is used to study the efficacy of D- and L-isomers of methionine. |
Molecular Weight: | 338.02 |
Molecular Formula: | C10H18CaO6S |
Canonical SMILES: | CSCCC(C(=O)[O-])O.CSCCC(C(=O)[O-])O.[Ca+2] |
InChI: | InChI=1S/2C5H10O3S.Ca/c2*1-9-3-2-4(6)5(7)8/h2*4,6H,2-3H2,1H3,(H,7,8)/q+2/p-2/t2*4-/m11./s1 |
InChI Key: | ABRVDWASZFDIEH-KDAOEQPASA-L |
References: | Baker, D.H., Boebel, K.P. J. Nutrition, 110, 959 (1980). |
Complexity: | 88.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 338.0170715 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 338.0170715 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 171Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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